2,2-Dimethyl-4-pentenal

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H12O
Molecular Weight	112.1696
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,2-Dimethyl-4-pentenal

Structure Search

SMILES

CC(C)(CC=C)C=O

InChI

InChIKey=DXSDIWHOOOBQTJ-UHFFFAOYSA-N

InChI=1S/C7H12O/c1-4-5-7(2,3)6-8/h4,6H,1,5H2,2-3H3

HIDE SMILES / InChI

Molecular Formula	C7H12O
Molecular Weight	112.1696
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:21:49 GMT 2025` Edited by `admin` on `Tue Apr 01 19:21:49 GMT 2025`
Record UNII	377AT76G2F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,2-Dimethylpent-4-enal

Preferred Name

English

2,2-Dimethyl-4-pentenal

Systematic Name

English

AI3-28334

Code

English

NSC-14676

Code

English

4-Pentenal, 2,2-dimethyl-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID30203502

Created by admin on Tue Apr 01 19:21:49 GMT 2025 , Edited by admin on Tue Apr 01 19:21:49 GMT 2025

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ECHA (EC/EINECS)

226-834-7

Created by admin on Tue Apr 01 19:21:49 GMT 2025 , Edited by admin on Tue Apr 01 19:21:49 GMT 2025

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PUBCHEM

79636

Created by admin on Tue Apr 01 19:21:49 GMT 2025 , Edited by admin on Tue Apr 01 19:21:49 GMT 2025

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FDA UNII

377AT76G2F

Created by admin on Tue Apr 01 19:21:49 GMT 2025 , Edited by admin on Tue Apr 01 19:21:49 GMT 2025

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NSC

14676

Created by admin on Tue Apr 01 19:21:49 GMT 2025 , Edited by admin on Tue Apr 01 19:21:49 GMT 2025

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CAS

5497-67-6

Created by admin on Tue Apr 01 19:21:49 GMT 2025 , Edited by admin on Tue Apr 01 19:21:49 GMT 2025

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